ACD/Labs Announces Another Free Add-on for Searching the PubChem Online Database
The PubChem project, which was initiated by the National Library of Medicine, has revolutionized online access to millions of chemical structures, names, masses, and an abundance of associated information. Recently, we allowed PubChem, along with eMolecule (formerly Chmoogle), databases to be searched directly from ACD/ChemSketch according to structure or substructure searches, and now we extend the PubChem search capabilities within ChemSketch to comprehend Exact or Monoisotopic mass ranges. This ability is particularly useful for mass spectrometrists searching for endogenous metabolites or biomarkers. This document describes how to integrate and implement mass search capabilities of PubChem from within ACD/ChemSketch in a way that facilitates the searching and reporting of your findings.
Antony Williams, Ph.D., VP and Chief Science Officer at ACD/Labs, comments, “In an age of information overload, it is becoming increasingly important for information sources of all kinds to be accessible in as simple and intelligent a fashion as possible and to filter out irrelevant items. The ability to push or pull structural data in a controlled way from as many data formats and sources as possible is, in our view, critical to scientific research; and the PubChem Searching Add-on is a good example of our commitment to provide convenient access to new data resources as they become available. We greatly encourage our more than 600,000 ChemSketch users to take advantage of this new utility as a means of accessing the PubChem Online Database.”
About Advanced Chemistry Development
Advanced Chemistry Development, Inc., (ACD/Labs) is a chemistry software company offering solutions that truly integrate chemical structures with analytical chemistry information to produce ChemAnalytics®. ACD/Labs creates innovative software packages that aid chemical research scientists worldwide with spectroscopic validation of structures, elucidation of unknown substances, chromatographic separation, medicinal chemistry, preformulation of novel drug agents, systematic nomenclature generation, and chemical patenting and publication. Combined, ACD/Labs’ solutions create an analytical informatics system that provides dramatic feed-forward effects on the chemical and pharmaceutical research process. Founded in 1993, and headquartered in Toronto, Canada, ACD/Labs employs a team of over 100 dedicated individuals whose continual efforts carry ACD/Labs’ innovative technologies into pharmaceutical, biotech, chemical, and materials companies throughout the world. Information about Advanced Chemistry Development and its products can be found at www.acdlabs.com .
